============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 1 0.900 -35.838 18.210 69.225 -99.200 -91.000 HIS 6 0.900 -33.876 27.417 65.431 -99.200 -91.000 PHE 7 1.000 -36.411 29.590 58.222 -99.200 -91.000 TRP 19 1.040 -21.262 16.997 64.365 -99.200 -91.000 TRP6 19 1.020 -21.564 19.159 63.419 -99.200 -91.000 PHE 21 1.000 -18.606 8.143 59.523 -99.200 -91.000 HIS 31 0.900 -28.225 19.532 55.734 -99.200 -91.000 HIS 34 0.900 -30.417 9.947 56.236 -99.200 -91.000 HIS 39 0.900 -34.611 20.334 57.135 -99.200 -91.000 TYR 47 0.840 -36.370 24.899 57.637 -99.200 -91.000 TYR 55 0.840 -26.305 18.584 42.758 -99.200 -91.000 TYR 64 0.840 -17.432 35.612 47.044 -99.200 -91.000 PHE 65 1.000 -22.124 28.840 50.137 -99.200 -91.000 TYR 67 0.840 -25.725 24.300 47.940 -99.200 -91.000 HIS 102 0.900 -36.284 41.419 52.732 -99.200 -91.000 TRP 115 1.040 -26.837 40.810 51.029 -99.200 -91.000 TRP6 115 1.020 -25.627 39.685 52.765 -99.200 -91.000 HIS 132 0.900 -12.652 20.908 41.407 -99.200 -91.000 TYR 135 0.840 -12.159 29.670 51.154 -99.200 -91.000 TYR 143 0.840 -23.021 26.131 62.215 -99.200 -91.000 TYR 147 0.840 -21.684 31.178 54.618 -99.200 -91.000 TYR 152 0.840 -34.132 33.158 43.613 -99.200 -91.000 TRP 153 1.040 -27.600 32.899 37.984 -99.200 -91.000 TRP6 153 1.020 -26.359 33.265 39.989 -99.200 -91.000 PHE 161 1.000 -29.334 17.935 30.387 -99.200 -91.000 TRP 164 1.040 -33.878 26.877 39.265 -99.200 -91.000 TRP6 164 1.020 -34.325 29.213 39.153 -99.200 -91.000 TYR 166 0.840 -30.766 28.461 44.848 -99.200 -91.000 TRP 178 1.040 -11.703 30.430 55.955 -99.200 -91.000 TRP6 178 1.020 -14.011 29.893 55.745 -99.200 -91.000 TYR 195 0.840 -13.196 10.587 64.792 -99.200 -91.000 TYR 199 0.840 -15.307 5.568 62.626 -99.200 -91.000